UCSF

ZINC00337256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Other Names:

MFCD02765706

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 2.07 -10.95 4 4 0 75 225.251 1
Mid Mid (pH 6-8) 2.12 2.49 -26.94 5 4 1 76 226.259 1
Lo Low (pH 4.5-6) 2.12 3.24 -36.83 4 4 0 79 225.251 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )